SCHEMBL9775655

SCHEMBL9775655

C=CC(=O)OCC(C)CC(CC)OC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL891479 0.84 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494022 0.83 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL31059272 0.82 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29362562 0.81 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15243937 0.81 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL35200 0.81 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11746726 0.79 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18123454 0.79 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8965855 0.78 TSHR (0.75) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27807065 0.77 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999218-A (Meth)acrylate copolymer and aromatic ketone dispersion; concrete roof tiles BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed